chempirical

Boc-biocytin

C21H36N4O6SCAS 62062-43-5472.60 g/mol

Open in Covalent MOL file
OONHNHOSNHOHNOOH
AmideCarbamateCarboxylic acidSulfideUrea

Properties

Molecular formula
C21H36N4O6S
Molar mass
472.60 g/mol
Exact mass
472.2356 Da
logP
1.98Crippen estimate
Polar surface area
145.9 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
12
Stereocentres
S, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
62062-43-5
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)O
InChIKey
XTQNFOCBPUXJCS-JKQORVJESA-N
InChI
InChI=1S/C21H36N4O6S/c1-21(2,3)31-20(30)24-13(18(27)28)8-6-7-11-22-16(26)10-5-4-9-15-17-14(12-32-15)23-19(29)25-17/h13-15,17H,4-12H2,1-3H3,(H,22,26)(H,24,30)(H,27,28)(H2,23,25,29)/t13-,14-,15-,17-/m0/s1

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Work with Boc-biocytin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fmoc-D-lys(biotin)-oh110990-09-568 % similar Fmoc-Lys(biotinyl)-OH146987-10-268 % similar (2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic acid2483-46-758 % similar N-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-6-((5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno(3,4-d)imidazol-4-yl)pentanoyl)amino)hexanamide89889-52-156 % similar Biotinylamidoethylacetamide111790-37-555 % similar Boc-lys(ac)-oh6404-26-855 % similar Boc-orn(boc)-oh57133-29-654 % similar Boc-L-6-hydroxynorleucine77611-37-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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